3-[acetyl(cyclopropyl)amino]propanoic acid

C8H13NO3 — CID 60843836

IUPAC3-[acetyl(cyclopropyl)amino]propanoic acid
SMILESCC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C8H13NO3/c1-6(10)9(7-2-3-7)5-4-8(11)12/h7H,2-5H2,1H3,(H,11,12)
InChIKeyAMXFADPUHFOHFG-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.47
Rot. Bonds4

About 3-[acetyl(cyclopropyl)amino]propanoic acid

3-[acetyl(cyclopropyl)amino]propanoic acid (PubChem CID 60843836) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-[acetyl(cyclopropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[acetyl(cyclopropyl)amino]propanoic acid
PubChem CID60843836
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-[acetyl(cyclopropyl)amino]propanoic acid
SMILESCC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C8H13NO3/c1-6(10)9(7-2-3-7)5-4-8(11)12/h7H,2-5H2,1H3,(H,11,12)
InChIKeyAMXFADPUHFOHFG-UHFFFAOYSA-N
XLogP0.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
CID 61196461
3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid
CID 60828272
3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
CID 61186595
3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
CID 60845034
3-[cyclopropyl(hexanoyl)amino]propanoic acid
CID 60843685
3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 79181069
3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid
CID 103018270
3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid
CID 61209232
3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid
CID 115426555
3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188251
3-[cyclopropyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 61201390
N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide
CID 113115459

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclopropyl)amino]propanoic acid?
The IUPAC name of 3-[acetyl(cyclopropyl)amino]propanoic acid (CID 60843836) is 3-[acetyl(cyclopropyl)amino]propanoic acid.
What is the SMILES notation for 3-[acetyl(cyclopropyl)amino]propanoic acid?
The canonical SMILES for 3-[acetyl(cyclopropyl)amino]propanoic acid is CC(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[acetyl(cyclopropyl)amino]propanoic acid?
The InChIKey is AMXFADPUHFOHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(10)9(7-2-3-7)5-4-8(11)12/h7H,2-5H2,1H3,(H,11,12).
What are the key properties of 3-[acetyl(cyclopropyl)amino]propanoic acid?
3-[acetyl(cyclopropyl)amino]propanoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cyclopropyl)amino]propanoic acid is sourced from PubChem (CID 60843836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).